>compound Myricitrin_Myricitrin
#instrument UPLC Q-Tof Premier, Waters
>formula C21H20O12
#smiles Oc(c4)cc(O1)c(c(O)4)C(=O)C(O[C@H](O3)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)3)=C1c(c2)cc(O)c(O)c(O)2
#RECORD LC-ESI-QTOF_train_data/PR100670.txt;LC-ESI-QTOF_train_data/PR100248.txt
>charge -1
>ionization [M-H]-
>parentmass 463.08767

>collision 5-60
124.0176 153.5
137.0254 144.1
151.0051 336.5
179.0003 317.9
214.0292 381.9
242.0248 303.3
243.0329 280.2
259.0279 420.2
270.0205 330.7
271.0272 1815.0
287.0227 1147.0
316.024 3847.0
317.0337 882.9
463.0877 3019.0

>collision 5-60
71.0502 156.8
85.0294 205.9
111.0085 16.66
129.0549 74.59
137.0229 15.69
147.0648 12.33
153.0193 87.57
165.0183 30.95
179.0334 13.41
217.0511 27.98
245.0455 39.66
273.0395 42.19
290.0404 15.51
301.0339 11.07
319.0439 958.4
320.0495 12.57
465.1033 16.55

